1-phenyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-phenyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 1-phenyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-phenyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C(C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C16H21N3OS/c1-4-10-19-15(12(2)3)17-18-16(19)21-11-14(20)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3